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5-(2-Amino-thiazol-5-yl)-4-methyl-2-phenylaminothiophene-3-carboxylic acid ethyl ester
SpectraBase Compound ID 8cpdG0gRqpw
InChI InChI=1S/C17H17N3O2S2/c1-3-22-16(21)13-10(2)14(12-9-23-17(18)20-12)24-15(13)19-11-7-5-4-6-8-11/h4-9,19H,3H2,1-2H3,(H2,18,20)
InChIKey CQJONFSFDGHMBB-UHFFFAOYSA-N
Mol Weight 359.46 g/mol
Molecular Formula C17H17N3O2S2
Exact Mass 359.076219 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FOBqOdv4p0I
Name 5-(2-Amino-thiazol-5-yl)-4-methyl-2-phenylaminothiophene-3-carboxylic acid ethyl ester
Appearance Beige powder
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Formula C17H17N3O2S2
InChI InChI=1S/C17H17N3O2S2/c1-3-22-16(21)13-10(2)14(12-9-23-17(18)20-12)24-15(13)19-11-7-5-4-6-8-11/h4-9,19H,3H2,1-2H3,(H2,18,20)
InChIKey CQJONFSFDGHMBB-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP-1000 EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3688
Molecular Weight 359.462 g/mol
SMILES N(c1sc(-c2nc(sc2)N)c(c1C(OCC)=O)C)c1ccccc1
SPLASH splash10-0006-9401000000-ea7f13f7ce2ae601b074
Source of Spectrum Y-56-SM21-9b
Wiley ID 1861104